(3E)-3-(ethenylamino)hexa-3,5-dien-1-ol

C8H13NO — CID 134480961

IUPAC(3E)-3-(ethenylamino)hexa-3,5-dien-1-ol
SMILESC=C/C=C(\CCO)NC=C
InChIInChI=1S/C8H13NO/c1-3-5-8(6-7-10)9-4-2/h3-5,9-10H,1-2,6-7H2/b8-5+
InChIKeyYOJAQQPUJKVGAW-VMPITWQZSA-N
MW139.20 g/mol
LogP1.17
Rot. Bonds5

About (3E)-3-(ethenylamino)hexa-3,5-dien-1-ol

(3E)-3-(ethenylamino)hexa-3,5-dien-1-ol (PubChem CID 134480961) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (3E)-3-(ethenylamino)hexa-3,5-dien-1-ol.

Molecular Properties

Compound Name(3E)-3-(ethenylamino)hexa-3,5-dien-1-ol
PubChem CID134480961
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(3E)-3-(ethenylamino)hexa-3,5-dien-1-ol
SMILESC=C/C=C(\CCO)NC=C
InChIInChI=1S/C8H13NO/c1-3-5-8(6-7-10)9-4-2/h3-5,9-10H,1-2,6-7H2/b8-5+
InChIKeyYOJAQQPUJKVGAW-VMPITWQZSA-N
XLogP1.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(ethenylamino)hexa-3,5-dien-1-ol?
The IUPAC name of (3E)-3-(ethenylamino)hexa-3,5-dien-1-ol (CID 134480961) is (3E)-3-(ethenylamino)hexa-3,5-dien-1-ol.
What is the SMILES notation for (3E)-3-(ethenylamino)hexa-3,5-dien-1-ol?
The canonical SMILES for (3E)-3-(ethenylamino)hexa-3,5-dien-1-ol is C=C/C=C(\CCO)NC=C.
What is the InChIKey of (3E)-3-(ethenylamino)hexa-3,5-dien-1-ol?
The InChIKey is YOJAQQPUJKVGAW-VMPITWQZSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-5-8(6-7-10)9-4-2/h3-5,9-10H,1-2,6-7H2/b8-5+.
What are the key properties of (3E)-3-(ethenylamino)hexa-3,5-dien-1-ol?
(3E)-3-(ethenylamino)hexa-3,5-dien-1-ol has a molecular weight of 139.20 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(ethenylamino)hexa-3,5-dien-1-ol is sourced from PubChem (CID 134480961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).